5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

C11H11NO2S — CID 4620974

IUPAC5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)SC(C)C2=O)c1
InChIInChI=1S/C11H11NO2S/c1-7-4-3-5-9(6-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChIKeyMDYMMJLUNZZXGB-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.58
Rot. Bonds1

About 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 4620974) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID4620974
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)SC(C)C2=O)c1
InChIInChI=1S/C11H11NO2S/c1-7-4-3-5-9(6-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChIKeyMDYMMJLUNZZXGB-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 1222519
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
2-(4-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
CID 1425019
(3aR,5R,7aR)-5-methyl-2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7297998
(3aR,5R,7aS)-5-methyl-2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7297999
2-(2-methyl-N-[(5R)-3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetamide
CID 7362246
(3aS,4R,7R,7aS)-2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98171097
(3aR,4S,7S,7aR)-2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98049228
(1R,2S,6S,7R)-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98048452
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
(1S,2R,6R,7R,8R,9S)-8,9-dibromo-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 6566802

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 4620974) is 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1cccc(N2C(=O)SC(C)C2=O)c1.
What is the InChIKey of 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is MDYMMJLUNZZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-4-3-5-9(6-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3.
What are the key properties of 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4620974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).